Structure model of γ-Al2O3 based on planar defects.
IUCrJ
; 6(Pt 1): 116-127, 2019 Jan 01.
Article
en En
| MEDLINE
| ID: mdl-30713709
ABSTRACT
The defect structure of γ-Al2O3 derived from boehmite was investigated using a combination of selected-area electron diffraction (SAED) and powder X-ray diffraction (XRD). Both methods confirmed a strong dependence of the diffraction line broadening on the diffraction indices known from literature. The analysis of the SAED patterns revealed that the dominant structure defects in the spinel-type γ-Al2O3 are antiphase boundaries located on the lattice planes , which produce the sublattice shifts . Quantitative information about the defect structure of γ-Al2O3 was obtained from the powder XRD patterns. This includes mainly the size of γ-Al2O3 crystallites and the density of planar defects. The correlation between the density of the planar defects and the presence of structural vacancies, which maintain the stoichiometry of the spinel-type γ-Al2O3, is discussed. A computer routine running on a fast graphical processing unit was written for simulation of the XRD patterns. This routine calculates the atomic positions for a given kind and density of planar defect, and simulates the diffracted intensities with the aid of the Debye scattering equation.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
IUCrJ
Año:
2019
Tipo del documento:
Article
País de afiliación:
Alemania